COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL543555
Chemical Name: {4-[1-(3-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-3-methoxy-3-oxopropyl]-2-methoxyphenoxy}aceticacid
Smiles: COC(=O)CC(C1=C(O)C(=O)c2c(C1=O)cccc2)c1ccc(c(c1)OC)OCC(=O)O

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Molecular Weight: 440.41
Empirical Formula: C23H20O9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.133
Rotatable bonds: 11
H-donors: 2
H-acceptors: 9
PSA: 136
Number of rings: 3

     

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